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The title compound, [Cu2(OH)2(C14H17N3)2]Cl2·6H2O, is a crystallographically centrosymmetric dimer of square-pyramidal CuII centres, with a basal–basal [Cu2(μ-OH)2]2+ bridging motif and apical pyridyl donors. The Cl anion is hydrogen bonded to one O—H and one N—H group, and to three different water mol­ecules. Because of disorder, the network of intramolecular hydrogen bonding in the hydrated lattice is only partly resolved.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270103026064/bm1551sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270103026064/bm1551Isup2.hkl
Contains datablock I

CCDC reference: 231029

Comment top

We have recently reported an investigation of the coordination chemistry of bis[2-(2-pyridyl)ethyl]hydroxylamine and its conversion to bis[2-(2-pyridyl)ethyl]amine (bpea; Leaver et al., 2003). During the course of this work, we also crystallized the title compound, (I). Three other crystal structures are available of salts of related [Cu2(µ-OH)2(L)2]2+ complexes, where L is an N-alkylated bpea derivative (Karlin et al., 1984, 1990; Obias et al., 1998). One of these, however, has an unusual basal-apical pattern of [Cu2(µ-OH)2] bridging (Karlin et al., 1984), which is not structurally comparable with that in (I). \sch

The asymmetric unit of (I) contains half a formula unit, with the crystallographic inversion centre (1 − x, 1 − y, −z) lying at the centre of the [Cu2(µ-OH)2]2+ moiety. The five-coordinate Cu centre shows only small deviations from an ideal square-pyramidal geometry, with two basal OH ligands and a bpea pyridyl donor at the apical site. The τ value calculated from the bond angles at Cu1 is 0.039 (2), which is very close to the ideal value of 0 for a square pyramid (Addison et al., 1984). The [Cu2(µ-OH)2]2+ unit forms a near-perfect diamond shape, with the two unique distances Cu1—O2 and Cu1—O2i being identical to within 3 s.u.s [symmetry code: (i) 1 − x, 1 − y, −z]. The Cu1—O2—Cu1i angle and Cu1···Cu1i distance are similar to those shown by the other two known [Cu2(µ-OH)2(LR)2]2+ complexes with basal-basal [Cu2(µ-OH)2] bridging, which lie in the ranges 98.4 (3)–100.9 (1)° and 3.012 (1)–3.119 (1) Å, respectively (Karlin et al., 1990; Obias et al., 1998). The Cl anion Cl20 is hydrogen-bonded to the bpea N—H function and to the hydroxide O—H group. Atom Cl20 also accepts hydrogen bonds from three different water molecules (Table 2), yielding a distorted square-pyramidal coordination geometry at this atom [τ calculated from the H···Cl20···H angles is 0.26 (2)].

There are three unique water molecules in the lattice of (I). One of these, O22, is crystallographically ordered and forms hydrogen bonds to two different Cl anions. Another one, water molecule O21, also has an ordered O atom. However, only one H atom attached to water molecule O21 could be located in the difference map, which also hydrogen bonds to atom Cl20. The second H atom is probably involved in a hydrogen bond to water molecule O21ii [Table 3; symmetry code: (ii) x, 1 − y, 1 − z]. In that case, the putative atom H21B must be disordered over at least two sites, being 50% occupied at a position lying near the O21···O21ii vector. This would explain our inability to locate this H atom. Finally, the third water molecule is disordered over three orientations, labelled O23A—O23C. Although the positions of the H atoms bonded to these partial O atoms could not be located, atoms O23A—O23C have several potential hydrogen-bonding partners lying 2.65–3.10 Å away (Table 3). There are also some short distances between O23A—O23Aiii [2.592 (12)], O23A—O23Ciii [2.511 (12)] and O23C—O23Ciii [2.60 (2) Å], which are substantially closer than the sum of the van der Waals radii of two O atoms (2.8 Å; Pauling, 1960) [symmetry code: (iii) 2 − x, −y, 1 − z]. This implies that when the O23A or O23C sites are occupied, only site O23Biii can be occupied in the neighbouring disordered region, but, when site O23B is occupied, either O23Aiii, O23Biii or O23Ciii can be present. However, the fractional occupancies for O21A:O21B:O21C predicted by this simple model (0.20:0.60:0.20) do not match those observed (0.40:0.35:0.25). Thus, there must be additional geometric or steric factors controlling the disorder of this water molecule, which cannot be elucidated in the absence of the partial H-atom positions attached to O21 and O23A—O23C. There are no other noteworthy intermolecular interactions in the crystal lattice.

Experimental top

Addition of bpea·0.5H2O (0.23 g, 1.0 mmol) (Leaver et al., 2003) to a solution of CuCl2·2H2O (0.18 g, 1.0 mmol) in MeOH (30 ml) afforded a deep-blue solution. Slow evaporation from this solution gave dark-blue plates of (I) that were filtered off, washed with water and dried in vacuo (yield 0.25 g, 73%). The dried material contains a reduced water content compared with the freshly prepared single crystals, analysing as the monohydrate of the complex. Analysis found: C 47.6, H 5.6, N 11.2%; calculated for [C28H36Cu2N6O2]Cl2·H2O: C 47.7, H 5.4, N 11.9%.

Refinement top

The asymmetric unit contains half a dimeric complex dication lying across a crystallographic inversion centre, one Cl anion, two wholly occupied water molecules (O21 and O22), and a disordered region comprising three O atoms (O23A—O23C) with refined occupancies of 0.40 (O23A), 0.35 (O23B) and 0.25 (O23C). All non-H atoms, except for the three disordered O atoms, were refined anisotropically. All C-bound H atoms were placed in calculated positions and refined using a riding model. The fixed C—H distances were CH(aryl) = 0.95 and CH(alkyl) = 0.99 Å, with all Uiso(H) = 1.2Ueq(C). The H atoms bound to atoms O2, N3 and O22, and one of the H atoms bound to O21 (see Comment), were located in the difference map and allowed to refine freely with a common displacement parameter, and (for atoms H2, H21A, H22A and H22B) subject to a restrained O—H distance of 0.77 (2) Å; no N3—H3 restraint was applied. H atoms associated with the disordered O atoms O23A—O23C were not located.

Computing details top

Data collection: COLLECT (Nonius, 1999); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEX (McArdle, 1995); software used to prepare material for publication: local program.

Figures top
[Figure 1] Fig. 1. The molecular structure of the [Cu2(µ-OH)2(bpea)2]Cl2 moiety in (I), with 50% probability displacement ellipsoids, showing the atom-numbering scheme employed. The six lattice water molecules and all C-bound H atoms have been omitted for clarity.
Di-µ-hydroxo-bis({bis[2-(2-pyridyl)ethyl]amine-κ3N}copper(II)) dichloride hexahydrate top
Crystal data top
[Cu2(OH)2(C14H17N3)2]Cl2·6H2OZ = 1
Mr = 794.70F(000) = 414
Triclinic, P1Dx = 1.491 Mg m3
a = 9.2875 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 9.9802 (2) ÅCell parameters from 17493 reflections
c = 10.9261 (2) Åθ = 2.9–27.5°
α = 63.4321 (8)°µ = 1.41 mm1
β = 82.2565 (7)°T = 150 K
γ = 77.9460 (8)°Plate, dark blue
V = 884.85 (3) Å30.36 × 0.21 × 0.07 mm
Data collection top
Nonius KappaCCD area-detector
diffractometer
4033 independent reflections
Radiation source: fine-focus sealed tube3781 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.054
Detector resolution: 9.091 pixels mm-1θmax = 27.5°, θmin = 2.9°
ϕ and ω scansh = 1212
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
k = 1212
Tmin = 0.631, Tmax = 0.908l = 1414
17493 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.088H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0426P)2 + 0.5339P]
where P = (Fo2 + 2Fc2)/3
4033 reflections(Δ/σ)max = 0.001
228 parametersΔρmax = 0.46 e Å3
4 restraintsΔρmin = 0.71 e Å3
Crystal data top
[Cu2(OH)2(C14H17N3)2]Cl2·6H2Oγ = 77.9460 (8)°
Mr = 794.70V = 884.85 (3) Å3
Triclinic, P1Z = 1
a = 9.2875 (2) ÅMo Kα radiation
b = 9.9802 (2) ŵ = 1.41 mm1
c = 10.9261 (2) ÅT = 150 K
α = 63.4321 (8)°0.36 × 0.21 × 0.07 mm
β = 82.2565 (7)°
Data collection top
Nonius KappaCCD area-detector
diffractometer
4033 independent reflections
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
3781 reflections with I > 2σ(I)
Tmin = 0.631, Tmax = 0.908Rint = 0.054
17493 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0324 restraints
wR(F2) = 0.088H atoms treated by a mixture of independent and constrained refinement
S = 1.06Δρmax = 0.46 e Å3
4033 reflectionsΔρmin = 0.71 e Å3
228 parameters
Special details top

Experimental. Detector set at 30 mm from sample with different 2theta offsets 1 degree phi exposures for chi=0 degree settings 1 degree omega exposures for chi=90 degree settings

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. The asymmetric unit contains half a dimeric complex dication lying across a crystallographic inversion centre; one chloride anion; two wholly occupied water molecules (O21 and O22); and a disordered region comprising three oxygen atoms (O23A—O23C) with refined occupancies of 0.40 (O23A), 0.35 (O23B) and 0.25 (O23C). All non-H atoms except for the three disordered O atoms were refined anisotropically.

All C-bound H atoms were placed in calculated positions and refined using a riding model. The H atoms bound to O2, N3, O21 (see below) and O22 were located in the difference map and allowed to refine freely with a common thermal parameter, and (for H2, H21A, H22A and H22B) subject to a restrained O—H distance of 0.77 (2) Å; no N3—H3 restraint was applied. H atoms associated with the disordered O atoms O23A—O23C were not located.

Only one H atom bound to O21 (H21A) was located in the difference map. This water molecule probably forms a hydrogen-bonded pair with O21i (related by x, 1 − y, 1 − z), since O21···O21i = 2.831 (4) Å and H21A—O21···O21'i = 100 (4)°. If this is true, then the putative proton H21B must be disordered over at least two sites, being 50% occupied at a position lying near the O21···O21i vector. This would explain our inability to locate this H atom. The disordered solvent region is also apparently positioned so as to allow hydrogen bonding to O22, O21ii (related by 1 + x, y, z) and O23Aiii–O23Ciii (related by 2 − x, −y, 1 − z), since the relevant O···O distances all lie in the range 2.55–2.97 Å. Since one (or more) of O23A–O23C probably acts as a H-bond acceptor for at least one of the disorder orientations of H21B'', this at least partially explains the existence of disorder in this region of the lattice.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Cu10.55332 (2)0.59259 (2)0.05713 (2)0.02178 (9)
O20.39468 (15)0.47903 (15)0.08527 (14)0.0262 (3)
H20.368 (3)0.434 (3)0.158 (2)0.037 (3)*
N30.50709 (19)0.59021 (19)0.24496 (16)0.0262 (3)
H30.492 (3)0.508 (3)0.283 (3)0.037 (3)*
C40.6330 (2)0.5976 (3)0.3106 (2)0.0352 (5)
H4A0.61220.55710.41090.042*
H4B0.64560.70480.27590.042*
C50.7746 (2)0.5061 (3)0.2810 (2)0.0371 (5)
H5A0.84640.48170.35030.044*
H5B0.75320.40900.28970.044*
C60.8428 (2)0.5891 (2)0.1403 (2)0.0285 (4)
N70.75411 (17)0.65056 (17)0.03419 (16)0.0250 (3)
C80.8100 (2)0.7295 (2)0.0932 (2)0.0275 (4)
H80.74610.77510.16740.033*
C90.9563 (2)0.7464 (2)0.1199 (2)0.0320 (4)
H90.99260.80280.21060.038*
C101.0494 (2)0.6790 (2)0.0108 (2)0.0345 (4)
H101.15130.68610.02610.041*
C110.9915 (2)0.6017 (2)0.1198 (2)0.0330 (4)
H111.05300.55730.19570.040*
C120.3718 (2)0.6951 (2)0.2563 (2)0.0322 (4)
H12A0.36240.69000.34960.039*
H12B0.28480.66040.24390.039*
C130.3717 (3)0.8598 (2)0.1517 (2)0.0373 (5)
H13A0.30330.92680.18660.045*
H13B0.47170.88380.14360.045*
C140.3275 (2)0.8960 (2)0.0113 (2)0.0286 (4)
N150.41154 (17)0.82107 (17)0.05647 (16)0.0258 (3)
C160.3752 (2)0.8568 (2)0.18395 (19)0.0288 (4)
H160.43370.80360.23190.035*
C170.2575 (2)0.9665 (2)0.2491 (2)0.0319 (4)
H170.23750.99000.34020.038*
C180.1694 (2)1.0413 (2)0.1779 (2)0.0341 (4)
H180.08661.11600.21870.041*
C190.2045 (2)1.0052 (2)0.0472 (2)0.0328 (4)
H190.14501.05450.00350.039*
Cl200.36186 (7)0.27589 (6)0.41280 (5)0.04245 (15)
O210.0392 (2)0.3447 (2)0.5372 (2)0.0521 (4)
H21A0.109 (3)0.342 (3)0.497 (3)0.037 (3)*
O220.6393 (2)0.0506 (2)0.5830 (2)0.0512 (4)
H22A0.636 (3)0.027 (2)0.579 (3)0.037 (3)*
H22B0.569 (3)0.104 (3)0.538 (3)0.037 (3)*
O23A0.9213 (6)0.1261 (7)0.4943 (6)0.0522 (12)*0.40
O23B0.9119 (9)0.1179 (10)0.5613 (10)0.056 (2)*0.35
O23C0.9315 (12)0.0831 (13)0.5609 (13)0.050 (3)*0.25
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.02181 (13)0.02336 (13)0.02222 (13)0.00487 (8)0.00280 (8)0.01072 (9)
O20.0279 (7)0.0271 (7)0.0270 (7)0.0085 (5)0.0019 (5)0.0129 (6)
N30.0317 (8)0.0245 (8)0.0234 (7)0.0085 (6)0.0021 (6)0.0095 (6)
C40.0423 (11)0.0444 (12)0.0238 (9)0.0187 (9)0.0034 (8)0.0138 (8)
C50.0372 (11)0.0382 (11)0.0312 (10)0.0100 (9)0.0144 (9)0.0058 (9)
C60.0286 (9)0.0241 (9)0.0342 (10)0.0040 (7)0.0084 (8)0.0121 (8)
N70.0244 (7)0.0237 (7)0.0289 (8)0.0044 (6)0.0047 (6)0.0119 (6)
C80.0286 (9)0.0264 (9)0.0302 (9)0.0057 (7)0.0024 (7)0.0139 (8)
C90.0298 (10)0.0302 (10)0.0413 (11)0.0093 (8)0.0051 (8)0.0201 (9)
C100.0226 (9)0.0321 (10)0.0574 (13)0.0059 (7)0.0009 (9)0.0266 (10)
C110.0269 (9)0.0286 (9)0.0473 (12)0.0015 (7)0.0124 (8)0.0181 (9)
C120.0391 (11)0.0334 (10)0.0264 (9)0.0057 (8)0.0015 (8)0.0159 (8)
C130.0545 (13)0.0285 (10)0.0341 (10)0.0033 (9)0.0069 (9)0.0182 (9)
C140.0357 (10)0.0217 (8)0.0301 (9)0.0065 (7)0.0007 (8)0.0123 (7)
N150.0266 (8)0.0231 (7)0.0272 (8)0.0045 (6)0.0014 (6)0.0102 (6)
C160.0289 (9)0.0293 (9)0.0251 (9)0.0043 (7)0.0026 (7)0.0104 (7)
C170.0340 (10)0.0301 (10)0.0259 (9)0.0042 (8)0.0037 (8)0.0069 (8)
C180.0308 (10)0.0254 (9)0.0403 (11)0.0009 (7)0.0054 (8)0.0097 (8)
C190.0351 (10)0.0247 (9)0.0396 (11)0.0019 (8)0.0000 (8)0.0166 (8)
Cl200.0592 (4)0.0344 (3)0.0334 (3)0.0159 (2)0.0109 (2)0.0144 (2)
O210.0444 (10)0.0494 (10)0.0612 (12)0.0043 (8)0.0136 (9)0.0250 (9)
O220.0535 (11)0.0556 (12)0.0594 (12)0.0180 (9)0.0015 (9)0.0346 (10)
Geometric parameters (Å, º) top
Cu1—O21.9528 (13)C10—C111.379 (3)
Cu1—O2i1.9527 (14)C10—H100.9500
Cu1—N32.0298 (16)C11—H110.9500
Cu1—N72.0175 (16)C12—C131.526 (3)
Cu1—N152.2646 (16)C12—H12A0.9900
Cu1—Cu1i3.0194 (4)C12—H12B0.9900
O2—H20.75 (2)C13—C141.505 (3)
N3—C41.482 (3)C13—H13A0.9900
N3—C121.488 (3)C13—H13B0.9900
N3—H30.77 (3)C14—N151.346 (2)
C4—C51.522 (3)C14—C191.398 (3)
C4—H4A0.9900N15—C161.347 (3)
C4—H4B0.9900C16—C171.383 (3)
C5—C61.505 (3)C16—H160.9500
C5—H5A0.9900C17—C181.387 (3)
C5—H5B0.9900C17—H170.9500
C6—N71.345 (2)C18—C191.375 (3)
C6—C111.393 (3)C18—H180.9500
N7—C81.350 (2)C19—H190.9500
C8—C91.381 (3)O21—H21A0.73 (2)
C8—H80.9500O22—H22A0.80 (2)
C9—C101.393 (3)O22—H22B0.81 (2)
C9—H90.9500
O2i—Cu1—O278.73 (6)C8—C9—C10118.45 (19)
O2i—Cu1—N791.06 (6)C8—C9—H9120.8
O2—Cu1—N7162.93 (6)C10—C9—H9120.8
O2i—Cu1—N3160.57 (7)C11—C10—C9118.98 (18)
O2—Cu1—N391.00 (6)C11—C10—H10120.5
N7—Cu1—N394.57 (7)C9—C10—H10120.5
O2i—Cu1—N15101.78 (6)C10—C11—C6119.88 (19)
O2—Cu1—N1593.65 (6)C10—C11—H11120.1
N7—Cu1—N15101.88 (6)C6—C11—H11120.1
N3—Cu1—N1595.24 (6)N3—C12—C13113.32 (17)
Cu1i—O2—Cu1101.27 (6)N3—C12—H12A108.9
Cu1i—O2—Cu1101.27 (6)C13—C12—H12A108.9
Cu1i—O2—H2126 (2)N3—C12—H12B108.9
Cu1—O2—H2118 (2)C13—C12—H12B108.9
C4—N3—C12112.09 (16)H12A—C12—H12B107.7
C4—N3—Cu1115.55 (13)C14—C13—C12114.63 (17)
C12—N3—Cu1115.20 (12)C14—C13—H13A108.6
C4—N3—H3106 (2)C12—C13—H13A108.6
C12—N3—H3109 (2)C14—C13—H13B108.6
Cu1—N3—H397 (2)C12—C13—H13B108.6
N3—C4—C5111.01 (17)H13A—C13—H13B107.6
N3—C4—H4A109.4N15—C14—C19121.31 (18)
C5—C4—H4A109.4N15—C14—C13117.71 (18)
N3—C4—H4B109.4C19—C14—C13120.98 (18)
C5—C4—H4B109.4C14—N15—C16117.85 (16)
H4A—C4—H4B108.0C14—N15—Cu1121.13 (13)
C6—C5—C4112.82 (17)C16—N15—Cu1117.60 (12)
C6—C5—H5A109.0N15—C16—C17123.75 (18)
C4—C5—H5A109.0N15—C16—H16118.1
C6—C5—H5B109.0C17—C16—H16118.1
C4—C5—H5B109.0C16—C17—C18118.20 (19)
H5A—C5—H5B107.8C16—C17—H17120.9
N7—C6—C11120.95 (19)C18—C17—H17120.9
N7—C6—C5117.30 (17)C19—C18—C17118.69 (19)
C11—C6—C5121.76 (18)C19—C18—H18120.7
C6—N7—C8119.15 (17)C17—C18—H18120.7
C6—N7—Cu1120.63 (13)C18—C19—C14120.17 (19)
C8—N7—Cu1119.12 (13)C18—C19—H19119.9
N7—C8—C9122.55 (18)C14—C19—H19119.9
N7—C8—H8118.7H22A—O22—H22B99 (3)
C9—C8—H8118.7
Symmetry code: (i) x+1, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O2—H2···Cl200.75 (2)2.51 (2)3.2379 (15)162 (3)
N3—H3···Cl200.77 (3)2.57 (3)3.3132 (18)162 (3)
O21—H21A···Cl200.73 (2)2.48 (2)3.190 (2)166 (3)
O22—H22A···Cl20ii0.80 (2)2.45 (2)3.241 (2)175 (3)
O22—H22B···Cl200.81 (2)2.40 (2)3.206 (2)176 (3)
Symmetry code: (ii) x+1, y, z+1.

Experimental details

Crystal data
Chemical formula[Cu2(OH)2(C14H17N3)2]Cl2·6H2O
Mr794.70
Crystal system, space groupTriclinic, P1
Temperature (K)150
a, b, c (Å)9.2875 (2), 9.9802 (2), 10.9261 (2)
α, β, γ (°)63.4321 (8), 82.2565 (7), 77.9460 (8)
V3)884.85 (3)
Z1
Radiation typeMo Kα
µ (mm1)1.41
Crystal size (mm)0.36 × 0.21 × 0.07
Data collection
DiffractometerNonius KappaCCD area-detector
diffractometer
Absorption correctionMulti-scan
(SORTAV; Blessing, 1995)
Tmin, Tmax0.631, 0.908
No. of measured, independent and
observed [I > 2σ(I)] reflections
17493, 4033, 3781
Rint0.054
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.032, 0.088, 1.06
No. of reflections4033
No. of parameters228
No. of restraints4
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.46, 0.71

Computer programs: COLLECT (Nonius, 1999), DENZO-SMN (Otwinowski & Minor, 1997), DENZO-SMN, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEX (McArdle, 1995), local program.

Selected geometric parameters (Å, º) top
Cu1—O21.9528 (13)Cu1—N72.0175 (16)
Cu1—O2i1.9527 (14)Cu1—N152.2646 (16)
Cu1—N32.0298 (16)Cu1—Cu1i3.0194 (4)
O2i—Cu1—O278.73 (6)O2i—Cu1—N15101.78 (6)
O2i—Cu1—N791.06 (6)O2—Cu1—N1593.65 (6)
O2—Cu1—N7162.93 (6)N7—Cu1—N15101.88 (6)
O2i—Cu1—N3160.57 (7)N3—Cu1—N1595.24 (6)
O2—Cu1—N391.00 (6)Cu1i—O2—Cu1101.27 (6)
N7—Cu1—N394.57 (7)
Symmetry code: (i) x+1, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O2—H2···Cl200.75 (2)2.51 (2)3.2379 (15)162 (3)
N3—H3···Cl200.77 (3)2.57 (3)3.3132 (18)162 (3)
O21—H21A···Cl200.73 (2)2.48 (2)3.190 (2)166 (3)
O22—H22A···Cl20ii0.80 (2)2.45 (2)3.241 (2)175 (3)
O22—H22B···Cl200.81 (2)2.40 (2)3.206 (2)176 (3)
Symmetry code: (ii) x+1, y, z+1.
Intermolecular O···O distances in the range 2.65–3.10 Å in the structure of (I) that could correspond to O-H···O hydrogen bonds involving unlocated H atoms [symmetry codes: (ii) x, 1 − y, 1 − z; (iii) 2 − x, −y, 1 − z; (iv) 1 + x, y, z]. top
O21···O21ii2.831 (4)
O23A···O21iv2.869 (6)
O23B···O21iv2.663 (9)
O23C···O21iv2.881 (11)
O23A···O222.803 (6)
O23B···O222.706 (9)
O23C···O222.766 (11)
O23A···O23Biii2.862 (10)
O23B···O23Ciii2.928 (15)
 

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